chempirical

Toluenesulfonamide

C14H18N2O4S2CAS 1333-07-9342.43 g/mol

Open in Covalent MOL file
SOONH2SOOH2N
Sulfonamide

Properties

Molecular formula
C14H18N2O4S2
Molar mass
342.43 g/mol
Exact mass
342.0708 Da
Melting point
193 °C
logP
1.28Crippen estimate
Polar surface area
120.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
1333-07-9
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=CC=C1S(=O)(=O)N
InChIKey
VXGAPBLISGTEKE-UHFFFAOYSA-N
InChI
InChI=1S/2C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7(6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenesulfonamide, ar-methyl-
  • Ar-Toluenesulfonamide
  • Ar-Methylbenzenesulfonamide
  • Ketjenflex 3
  • Ketjenflex 7
  • Ketjenflex 15

Work with Toluenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylbenzenesulfonamide88-19-777 % similar P-Toluenesulfonamide70-55-370 % similar Benzenesulfonamide98-10-250 % similar 4-Amino-3-methylbenzenesulfonamide53297-70-446 % similar 3-Amino-4-methylbenzenesulfonamide6274-28-846 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-746 % similar 2-Aminobenzenesulfonamide3306-62-544 % similar 2-Methylbenzenesulfonyl chloride133-59-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook